8IS
Summary
| Name: | N-[(2S)-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-2,2-diphenyl-ethanamide |
| Synonyms: | N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide |
| Formula: | C24 H32 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 380.523 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{S})-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-2,2-diphenyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H32N2O2/c27-22(17-25-16-19-10-4-1-5-11-19)18-26-24(28)23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h2-3,6-9,12-15,19,22-23,25,27H,1,4-5,10-11,16-18H2,(H,26,28)/t22-/m0/s1 |
| InChIKey | InChI | 1.06 | FUOOCCYGXAKPCY-QFIPXVFZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H](CNCC1CCCCC1)CNC(=O)C(c2ccccc2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | O[CH](CNCC1CCCCC1)CNC(=O)C(c2ccccc2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(c2ccccc2)C(=O)NC[C@H](CNCC3CCCCC3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(c2ccccc2)C(=O)NCC(CNCC3CCCCC3)O |
